| SpectraBase Spectrum ID |
Iflzsowq3Ax |
| Name |
Succinic acid, 2-fluorophenyl 1-bromo-3,3,3-trifluoroprop-2-yl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.977684482 u |
| Formula |
C13H11BrF4O4 |
| InChI |
InChI=1S/C13H11BrF4O4/c14-7-10(13(16,17)18)22-12(20)6-5-11(19)21-9-4-2-1-3-8(9)15/h1-4,10H,5-7H2 |
| InChIKey |
KKHXVKPYKIDVFL-UHFFFAOYSA-N |
| Molecular Weight |
387.125 g/mol |
| SMILES |
C(CC(OC1=CC=CC=C1F)=O)C(OC(CBr)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94379 |
